Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 8/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1837779 | 0.79 | CYP2C19 (0.50) | CYP2C19MMELTA4HCETP | |
| SCHEMBL5512489 | 0.77 | CYP2C19 (0.54) | CYP2C19MMELTA4HCETP | |
| SCHEMBL12308361 | 0.75 | CYP2C19 (0.45) | CYP2C19MMELTA4H | |
| SCHEMBL5728858 | 0.73 | HDAC1 (0.33) | — | |
| SCHEMBL4984867 | 0.72 | CPB2 (0.32) | — | |
| SCHEMBL10900629 | 0.71 | CYP2C19 (0.38) | CYP2C19MME | |
| SCHEMBL8847977 | 0.69 | CYP2C19 (0.38) | CYP2C19MMELTA4HCETP | |
| SCHEMBL6382992 | 0.67 | HDAC1 (0.33) | — | |
| SCHEMBL14417093 | 0.66 | CYP2C19 (0.39) | CYP2C19MMELTA4HCETP | |
| SCHEMBL11381051 | 0.65 | CYP2C19 (0.38) | CYP2C19MMELTA4HCETP |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | claimed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | claimed |
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |